1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene

C12H20N2O3S — CID 54904084

IUPAC1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene
SMILESCCN(CC)S(=O)(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-14(4-2)18(16,17)13-10-9-11-5-7-12(15)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyYXUMGDBUEYEMSD-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.11
Rot. Bonds7

About 1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene

1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene (PubChem CID 54904084) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene.

Molecular Properties

Compound Name1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene
PubChem CID54904084
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene
SMILESCCN(CC)S(=O)(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-14(4-2)18(16,17)13-10-9-11-5-7-12(15)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyYXUMGDBUEYEMSD-UHFFFAOYSA-N
XLogP1.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
4-[2-(diethylsulfamoylamino)ethyl]benzoic acid
CID 43234508
1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 54947518
1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene
CID 63237275
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 30126219
methyl N-[2-(4-hydroxyphenyl)ethylsulfamoyl]carbamate
CID 114463964
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 81241265
1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene
CID 54936307
2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 35523293
1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
CID 115753679
N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 61017540

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene?
The IUPAC name of 1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene (CID 54904084) is 1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene.
What is the SMILES notation for 1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene?
The canonical SMILES for 1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene is CCN(CC)S(=O)(=O)NCCc1ccc(O)cc1.
What is the InChIKey of 1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene?
The InChIKey is YXUMGDBUEYEMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-14(4-2)18(16,17)13-10-9-11-5-7-12(15)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene?
1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene has a molecular weight of 272.37 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene is sourced from PubChem (CID 54904084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).